Basic information
- Standard SMILES
COc1cc(C=CCC(=O)O)cc(OC)c1- InChIKey
VPLUETMYJCCNCU-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
Names & identifiers
- Preferred name
- 4-(3,5-Dimethoxyphenyl)-3-butenoic acid
- IUPAC
- 4-(3,5-dimethoxyphenyl)but-3-enoic acid
Names & synonyms
SCHEMBL17361874VPLUETMYJCCNCU-UHFFFAOYSA-N4-(3,5-dimethoxyphenyl)-3-butenoic acid4-(3,5-dimethoxyphenyl)but-3-enoic acid
Database identifiers
- PubChem CID
- 85167243
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Related reactions
2 records
Compound notes
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